N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine

C15H21N3O — CID 115208013

IUPACN-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine
SMILESCC(C)(CNCC1CNC1)c1ccc2ncoc2c1
InChIInChI=1S/C15H21N3O/c1-15(2,9-17-8-11-6-16-7-11)12-3-4-13-14(5-12)19-10-18-13/h3-5,10-11,16-17H,6-9H2,1-2H3
InChIKeyONAFIQPXQLIIMG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.91
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine

N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine (PubChem CID 115208013) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine
PubChem CID115208013
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine
SMILESCC(C)(CNCC1CNC1)c1ccc2ncoc2c1
InChIInChI=1S/C15H21N3O/c1-15(2,9-17-8-11-6-16-7-11)12-3-4-13-14(5-12)19-10-18-13/h3-5,10-11,16-17H,6-9H2,1-2H3
InChIKeyONAFIQPXQLIIMG-UHFFFAOYSA-N
XLogP1.91
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol
CID 115216559
2-(1,3-benzoxazol-6-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
CID 115215321
1-[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]-3-methylurea
CID 115169614
2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129810
N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115208003
6-(azetidin-3-ylmethyl)-1,3-benzoxazole
CID 116925337
N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115207431
N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
CID 115209518
N-(chloromethyl)-2-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine
CID 115263693
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210874
N-[2-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)propyl]carbamoyl bromide
CID 115194279
2-methyl-2-pyridin-3-yl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 115209149

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine (CID 115208013) is N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine is CC(C)(CNCC1CNC1)c1ccc2ncoc2c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine?
The InChIKey is ONAFIQPXQLIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,9-17-8-11-6-16-7-11)12-3-4-13-14(5-12)19-10-18-13/h3-5,10-11,16-17H,6-9H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine?
N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 115208013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).